N-(2-bromanyl-4-methyl-phenyl)-2-(6,7-dimethoxy-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(6,7-dimethoxy-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(6,7-dimethoxy-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(6,7-dimethoxy-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(6,7-dimethoxy-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-keto-6,7-dimethoxy-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C25H22BrN3O4S MolecularWeight: 540.42888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2C4=CC=CC=C4)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2C4=CC=CC=C4)OC)OC)Br

InChI

InChI=1S/C25H22BrN3O4S/c1-15-9-10-19(18(26)11-15)27-23(30)14-34-25-28-20-13-22(33-3)21(32-2)12-17(20)24(31)29(25)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,27,30)